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Related entries of code: 3sm2
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3slzRCSB PDB    PDBbind132aa, >3SLZ_1|Chains... *
3sm1RCSB PDB    PDBbind132aa, >3SM1_1|Chains... at 100%
4exhRCSB PDB    PDBbind132aa, >4EXH_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
1hpvRCSB PDB    PDBbind478
1t7jRCSB PDB    PDBbind478
3ekpRCSB PDB    PDBbind478
3ekvRCSB PDB    PDBbind478
3nu3RCSB PDB    PDBbind478
3nu4RCSB PDB    PDBbind478
3nu5RCSB PDB    PDBbind478
3nu6RCSB PDB    PDBbind478
3nu9RCSB PDB    PDBbind478
3nujRCSB PDB    PDBbind478
3nuoRCSB PDB    PDBbind478
3s43RCSB PDB    PDBbind478
3s45RCSB PDB    PDBbind478
5kr0RCSB PDB    PDBbind478
Entry Information
PDB ID3sm2
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein Namexenotropic murine leukemia virus-related (XMVR) virus protease
Ligand Name478
EC.Number E.C.-.-.-.-
Resolution 1.75(Å)
Affinity (Kd/Ki/IC50)Ki=0.2nM
Release Year2011
Protein/NA SequenceCheck fasta file
Primary Reference (2011) Febs J. Vol. 278: pp. 4413-4424
Ligand Properties
Formula C25H35N3O6S
Molecular Weight 505.627
Exact Mass 505.225
No. of atoms 70
No. of bonds 72
Polar Surface Area 139.57
LOGP Value 2.89      (Computed with XLOGP3)
4.46      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 14
No. of Nitrogen and Oxygen Atoms: 9
No. of Rings: 3
Canonical SMILES
InChI String

Links to External Databases
RCSB PDBThe mother database
PDBsumEnhanced annotations on PDB entries
PubchemComprehensive collection of chemical and biological data
UniProtKB ACUniProt accession number (AC): Q9E7M1  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries
 
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